- InChI
- InChI=1S/C15H13NO2/c17-14(12-7-3-1-4-8-12)11-16-15(18)13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)
- InChI Key
- MIJZKZQWQXKSPA-UHFFFAOYSA-N
- Formula
- C15H13NO2
- SMILES
- O=C(CN=C(O)c1ccccc1)c1ccccc1
- Molecular Weight1
- 239.27
- CAS
- 4190-14-1
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -72.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.36 | kJ/mol | Joback Calculated Property |
| log10WS | -3.25 | Crippen Calculated Property | |
| logPoct/wat | 2.874 | Crippen Calculated Property | |
| McVol | 187.810 | ml/mol | McGowan Calculated Property |
| Pc | 2654.29 | kPa | Joback Calculated Property |
| Tboil | 818.57 | K | Joback Calculated Property |
| Tc | 1055.79 | K | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, n-phenacyl-.
Sources
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